1.0 2010-04-08 22:12:36 UTC 2019-11-26 03:13:40 UTC FDB016716 Eugenol O-[a-L-Arabinofuranosyl-(1->6)-b-D-glucopyranoside] Constituent of Rosa damascena (damask rose). Eugenol O-[a-L-Arabinofuranosyl-(1->6)-b-D-glucopyranoside] is found in herbs and spices and green vegetables. C21H30O11 458.4563 458.178811802 2-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]oxane-3,4,5-triol 2-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]oxane-3,4,5-triol 229333-98-6 COC1=C(OC2OC(COC3OC(CO)C(O)C3O)C(O)C(O)C2O)C=CC(CC=C)=C1 InChI=1S/C21H30O11/c1-3-4-10-5-6-11(12(7-10)28-2)30-21-19(27)17(25)16(24)14(32-21)9-29-20-18(26)15(23)13(8-22)31-20/h3,5-7,13-27H,1,4,8-9H2,2H3 VLKZOKSLKIEMBT-UHFFFAOYSA-N belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Phenolic glycosides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteromonocyclic compounds Acetals Alkyl aryl ethers Anisoles Disaccharides Hydrocarbon derivatives Methoxybenzenes O-glycosyl compounds Oxacyclic compounds Oxanes Phenoxy compounds Polyols Primary alcohols Secondary alcohols Tetrahydrofurans Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteromonocyclic compound Benzenoid Disaccharide Ether Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Secondary alcohol Tetrahydrofuran logp -0.44 ALOGPS logs -1.86 ALOGPS solubility 6.26e+00 g/l ALOGPS logp -0.8 ChemAxon pka_strongest_acidic 11.94 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]oxane-3,4,5-triol ChemAxon average_mass 458.4563 ChemAxon mono_mass 458.178811802 ChemAxon smiles COC1=C(OC2OC(COC3OC(CO)C(O)C3O)C(O)C(O)C2O)C=CC(CC=C)=C1 ChemAxon formula C21H30O11 ChemAxon inchi InChI=1S/C21H30O11/c1-3-4-10-5-6-11(12(7-10)28-2)30-21-19(27)17(25)16(24)14(32-21)9-29-20-18(26)15(23)13(8-22)31-20/h3,5-7,13-27H,1,4,8-9H2,2H3 ChemAxon inchikey VLKZOKSLKIEMBT-UHFFFAOYSA-N ChemAxon polar_surface_area 167.53 ChemAxon refractivity 107.38 ChemAxon polarizability 45.6 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 11 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 105210 Specdb::MsMs 105211 Specdb::MsMs 105212 Specdb::MsMs 171666 Specdb::MsMs 171667 Specdb::MsMs 171668 Specdb::MsMs 2303484 Specdb::MsMs 2303485 Specdb::MsMs 2303486 Specdb::MsMs 3065603 Specdb::MsMs 3065604 Specdb::MsMs 3065605 Specdb::CMs 9992 Specdb::CMs 45491 Specdb::CMs 133337 Specdb::CMs 141071 Specdb::NmrOneD 22362 Specdb::NmrOneD 22363 Specdb::NmrOneD 22364 Specdb::NmrOneD 22365 Specdb::NmrOneD 22366 Specdb::NmrOneD 22367 Specdb::NmrOneD 22368 Specdb::NmrOneD 22369 Specdb::NmrOneD 22370 Specdb::NmrOneD 22371 Specdb::NmrOneD 22372 Specdb::NmrOneD 22373 Specdb::NmrOneD 22374 Specdb::NmrOneD 22375 Specdb::NmrOneD 22376 Specdb::NmrOneD 22377 Specdb::NmrOneD 22378 Specdb::NmrOneD 22379 Specdb::NmrOneD 22380 Specdb::NmrOneD 22381 HMDB37603 #<Reference:0x000055ce31c92c28> Green vegetables Unknown generic Herbs and Spices Unknown generic